4-(cyclooctyloxymethyl)heptoxycyclooctane

C24H46O2 — CID 90894571

IUPAC4-(cyclooctyloxymethyl)heptoxycyclooctane
SMILESCCCC(CCCOC1CCCCCCC1)COC1CCCCCCC1
InChIInChI=1S/C24H46O2/c1-2-14-22(21-26-24-18-11-7-4-8-12-19-24)15-13-20-25-23-16-9-5-3-6-10-17-23/h22-24H,2-21H2,1H3
InChIKeyVZKHQFVWHDALNA-UHFFFAOYSA-N
MW366.63 g/mol
LogP7.44
Rot. Bonds10

About 4-(cyclooctyloxymethyl)heptoxycyclooctane

4-(cyclooctyloxymethyl)heptoxycyclooctane (PubChem CID 90894571) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is 4-(cyclooctyloxymethyl)heptoxycyclooctane.

Molecular Properties

Compound Name4-(cyclooctyloxymethyl)heptoxycyclooctane
PubChem CID90894571
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name4-(cyclooctyloxymethyl)heptoxycyclooctane
SMILESCCCC(CCCOC1CCCCCCC1)COC1CCCCCCC1
InChIInChI=1S/C24H46O2/c1-2-14-22(21-26-24-18-11-7-4-8-12-19-24)15-13-20-25-23-16-9-5-3-6-10-17-23/h22-24H,2-21H2,1H3
InChIKeyVZKHQFVWHDALNA-UHFFFAOYSA-N
XLogP7.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[7-cyclooctyloxy-2-(4-cyclooctyloxybutyl)heptoxy]cyclooctane
CID 173259998
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
propoxycyclooctane
CID 54078990
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
6-methylheptoxycyclohexane
CID 66984925
1-(4-ethylhexoxy)-4-methylcyclohexane
CID 123446750
6-cyclohexyloxy-N-methylhexan-3-amine
CID 106800628
butoxycyclobutane
CID 54057236
2-(bromomethyl)butoxycycloheptane
CID 64995040
10-butoxycyclooctadecan-1-ol
CID 91298202
1-cycloheptyloxy-N-ethylpentan-2-amine
CID 62042563

Frequently Asked Questions

What is the IUPAC name of 4-(cyclooctyloxymethyl)heptoxycyclooctane?
The IUPAC name of 4-(cyclooctyloxymethyl)heptoxycyclooctane (CID 90894571) is 4-(cyclooctyloxymethyl)heptoxycyclooctane.
What is the SMILES notation for 4-(cyclooctyloxymethyl)heptoxycyclooctane?
The canonical SMILES for 4-(cyclooctyloxymethyl)heptoxycyclooctane is CCCC(CCCOC1CCCCCCC1)COC1CCCCCCC1.
What is the InChIKey of 4-(cyclooctyloxymethyl)heptoxycyclooctane?
The InChIKey is VZKHQFVWHDALNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-2-14-22(21-26-24-18-11-7-4-8-12-19-24)15-13-20-25-23-16-9-5-3-6-10-17-23/h22-24H,2-21H2,1H3.
What are the key properties of 4-(cyclooctyloxymethyl)heptoxycyclooctane?
4-(cyclooctyloxymethyl)heptoxycyclooctane has a molecular weight of 366.63 g/mol, XLogP of 7.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclooctyloxymethyl)heptoxycyclooctane is sourced from PubChem (CID 90894571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).